(2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride

C17H27ClN2O — CID 154903605

IUPAC(2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride
SMILESCc1ccc(CC2(NC(=O)[C@H](N)CC(C)C)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)10-15(18)16(20)19-17(8-9-17)11-14-6-4-13(3)5-7-14;/h4-7,12,15H,8-11,18H2,1-3H3,(H,19,20);1H/t15-;/m1./s1
InChIKeyBUMUKHOXBUWYHO-XFULWGLBSA-N
MW310.87 g/mol
LogP2.98
Rot. Bonds6

About (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride

(2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride (PubChem CID 154903605) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride
PubChem CID154903605
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name(2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride
SMILESCc1ccc(CC2(NC(=O)[C@H](N)CC(C)C)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)10-15(18)16(20)19-17(8-9-17)11-14-6-4-13(3)5-7-14;/h4-7,12,15H,8-11,18H2,1-3H3,(H,19,20);1H/t15-;/m1./s1
InChIKeyBUMUKHOXBUWYHO-XFULWGLBSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide
CID 56880805
(2R)-2-amino-4-methyl-N-(1-methylcyclobutyl)pentanamide
CID 104904023
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
CID 110482510
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
CID 114350792
2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide
CID 125447217
(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
CID 10104411
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[1-(2-fluorophenyl)cyclopropyl]-4-methylpentanamide
CID 110482468
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride (CID 154903605) is (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride is Cc1ccc(CC2(NC(=O)[C@H](N)CC(C)C)CC2)cc1.Cl.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride?
The InChIKey is BUMUKHOXBUWYHO-XFULWGLBSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12(2)10-15(18)16(20)19-17(8-9-17)11-14-6-4-13(3)5-7-14;/h4-7,12,15H,8-11,18H2,1-3H3,(H,19,20);1H/t15-;/m1./s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride?
(2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride is sourced from PubChem (CID 154903605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).